Geometry & MOs

Info

ID:	235813
PubChem CID:	92710700
Reduced:	SO3N6C23H30 (1)
Stoich.:	AB3C6D23E30 (1)
Weight, g/mol:	394.215095
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	3.95
IP(EA), eV:	-8.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)[C@@H]3CCCN(C3)C4=NN=C(S4)N5CCCC5=O

DOS

IR

Vibrations